SCHEMBL818314

SCHEMBL818314

COC(C)C(NC(=O)C(C)NCC(=O)OC(C)(C)C)C(=O)N1CC(OC(C)=O)CC1Cc1c[nH]c2ncccc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MTNR1A P48039 1/20 0.31
POLB P06746 1/20 0.30
MCL1 Q07820 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL820496 0.89 SSTR3 (0.35) HCRTR1HCRTR2MTNR1A
SCHEMBL820497 0.87 AURKA (0.32) HCRTR1HCRTR2MTNR1AMCL1
SCHEMBL13787025 0.87 AURKA (0.32) HCRTR1HCRTR2MTNR1AMCL1
SCHEMBL818315 0.87 AURKA (0.32) HCRTR1HCRTR2MTNR1AMCL1
SCHEMBL818673 0.80 MTNR1A (0.39) HCRTR1HCRTR2MTNR1A
SCHEMBL820465 0.80 MTNR1A (0.39) HCRTR1HCRTR2MTNR1A
SCHEMBL818633 0.78 XIAP (0.43) MTNR1A
SCHEMBL823072 0.78 XIAP (0.43) MTNR1A
SCHEMBL820499 0.77 AURKA (0.33) MTNR1A
SCHEMBL817999 0.76 MTNR1A (0.34) MTNR1APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 HCRTR1 4617/4885HCRTR2 4775/4885MTNR1A 4534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.